3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine

C13H21N3 — CID 55134669

IUPAC3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(C2CC2)nc1C
InChIInChI=1S/C13H21N3/c1-9-12(5-4-8-14-3)10(2)16-13(15-9)11-6-7-11/h11,14H,4-8H2,1-3H3
InChIKeyBSDSCHQVKNJFOH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.12
Rot. Bonds5

About 3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine

3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine (PubChem CID 55134669) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
PubChem CID55134669
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(C2CC2)nc1C
InChIInChI=1S/C13H21N3/c1-9-12(5-4-8-14-3)10(2)16-13(15-9)11-6-7-11/h11,14H,4-8H2,1-3H3
InChIKeyBSDSCHQVKNJFOH-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine (CID 55134669) is 3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine is CNCCCc1c(C)nc(C2CC2)nc1C.
What is the InChIKey of 3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine?
The InChIKey is BSDSCHQVKNJFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-12(5-4-8-14-3)10(2)16-13(15-9)11-6-7-11/h11,14H,4-8H2,1-3H3.
What are the key properties of 3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine?
3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 55134669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).